Chromatographic Retention Modeling of Alkylazoles by QSRR Approach
نویسندگان
چکیده
منابع مشابه
QSRR prediction of the chromatographic retention behavior of painkiller drugs.
Quantitative structure-retention relationship (QSRR) analysis is a useful technique capable of relating chromatographic retention time to the chemical structure of a solute. A QSRR study has been carried out on the reversed-phase high-performance liquid chromatography retention times (log tR) of 62 diverse drugs (painkillers) by using molecular descriptors. Multiple linear regression (MLR) is u...
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Vilma Edite Fonseca Heinzen1*, Berenice da Silva Junkes2, Carlos Alberto Kuhnen3 and Rosendo Augusto Yunes1 1Department of Chemistry, Federal University of Santa Catarina, University Campus, Trindade, Florianópolis, Santa Catarina, 2Federal Institute of Education, Science and Technology of Santa Catarina, Mauro Ramos Avenue, No. 950, Center, Florianópolis, SC, 3Department of Physics, Federal Un...
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To relate structure and chromatographic retention an approach is needed that lacks the rigour of thermodynamics but which provides otherwise inaccessible information. Such an approach is a combination of detailed models with certain thermodynamic concepts. Linear free-energy relationships (LFER) may be regarded as linear relationships between the logarithms of the rate or equilibria constants f...
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ژورنال
عنوان ژورنال: Acta Scientifica Naturalis
سال: 2018
ISSN: 2367-5144
DOI: 10.2478/asn-2018-0023